PDB-code
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 66.8° (18.9Å) |
| G-rich loop rotation: | 15° |
| Quality Score: | 8 |
| Resolution: | 2.2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KPLGEGCFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVIVECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGLA |
| Sequence structure: | KPLGEGCFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVILECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGLA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 K 476 | 2 P 477 | 3 L 478 | 4 G 479 | 5 E 480 | 6 G 481 | 7 C 482 | 8 F 483 | 9 G 484 | 10 Q 485 | 11 V 486 | 12 V 487 | 13 R 488 | 14 V 505 | 15 A 506 | 16 V 507 | 17 K 508 | 18 M 509 | 19 L 510 | 20 D 521 |
| • | • | •• | •• | •• | • | • | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 522 | 22 V 523 | 23 S 524 | 24 E 525 | 25 M 526 | 26 E 527 | 27 V 528 | 28 M 529 | 29 K 530 | 30 L 531 | 31 I 532 | 32 G 533 | 33 K 536 | 34 N 537 | 35 I 538 | 36 I 539 | 37 N 540 | 38 L 541 | 39 L 542 | 40 G 543 |
| • | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 544 | 42 Y 552 | 43 V 553 | 44 I 554 | 45 L 555 | 46 E 556 | 47 C 557 | 48 A 558 | 49 A 559 | 50 K 560 | 51 G 561 | 52 N 562 | 53 L 563 | 54 R 564 | 55 E 565 | 56 F 566 | 57 L 567 | 58 R 568 | 59 A 569 | 60 Y 607 |
| • | • | • | ••• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 608 | 62 E 609 | 63 S 610 | 64 R 611 | 65 K 612 | 66 C 613 | 67 I 614 | 68 H 615 | 69 R 616 | 70 D 617 | 71 L 618 | 72 A 619 | 73 A 620 | 74 R 621 | 75 N 622 | 76 V 623 | 77 L 624 | 78 V 625 | 79 I 633 | 80 A 634 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 635 | 82 F 636 | 83 G 637 | 84 L 638 | 85 A 639 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





